3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C23H20N8O2 — CID 90683933

IUPAC3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12
InChIInChI=1S/C23H20N8O2/c1-12(2)31-10-19(18-9-25-11-27-22(18)31)20(32)14-4-16(8-24-6-14)28-23(33)15-5-17-13(3)29-30-21(17)26-7-15/h4-12H,1-3H3,(H,28,33)(H,26,29,30)
InChIKeyXZWVKJRNEAMYND-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.47
Rot. Bonds5

About 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 90683933) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID90683933
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12
InChIInChI=1S/C23H20N8O2/c1-12(2)31-10-19(18-9-25-11-27-22(18)31)20(32)14-4-16(8-24-6-14)28-23(33)15-5-17-13(3)29-30-21(17)26-7-15/h4-12H,1-3H3,(H,28,33)(H,26,29,30)
InChIKeyXZWVKJRNEAMYND-UHFFFAOYSA-N
XLogP3.47
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 90683933) is 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12.
What is the InChIKey of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XZWVKJRNEAMYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-12(2)31-10-19(18-9-25-11-27-22(18)31)20(32)14-4-16(8-24-6-14)28-23(33)15-5-17-13(3)29-30-21(17)26-7-15/h4-12H,1-3H3,(H,28,33)(H,26,29,30).
What are the key properties of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90683933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).